(5-amino-1-propan-2-ylpyrazol-3-yl)-piperidin-1-ylmethanone

C12H20N4O — CID 117215429

IUPAC(5-amino-1-propan-2-ylpyrazol-3-yl)-piperidin-1-ylmethanone
SMILESCC(C)n1nc(C(=O)N2CCCCC2)cc1N
InChIInChI=1S/C12H20N4O/c1-9(2)16-11(13)8-10(14-16)12(17)15-6-4-3-5-7-15/h8-9H,3-7,13H2,1-2H3
InChIKeyUFKWMNONUMQAGE-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.67
Rot. Bonds2

About (5-amino-1-propan-2-ylpyrazol-3-yl)-piperidin-1-ylmethanone

(5-amino-1-propan-2-ylpyrazol-3-yl)-piperidin-1-ylmethanone (PubChem CID 117215429) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is (5-amino-1-propan-2-ylpyrazol-3-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(5-amino-1-propan-2-ylpyrazol-3-yl)-piperidin-1-ylmethanone
PubChem CID117215429
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name(5-amino-1-propan-2-ylpyrazol-3-yl)-piperidin-1-ylmethanone
SMILESCC(C)n1nc(C(=O)N2CCCCC2)cc1N
InChIInChI=1S/C12H20N4O/c1-9(2)16-11(13)8-10(14-16)12(17)15-6-4-3-5-7-15/h8-9H,3-7,13H2,1-2H3
InChIKeyUFKWMNONUMQAGE-UHFFFAOYSA-N
XLogP1.67
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

S-propan-2-yl 5-amino-1-propan-2-ylpyrazole-3-carbothioate
CID 117215498
[5-amino-1-(2-fluorophenyl)pyrazol-3-yl]-(azepan-1-yl)methanone
CID 82188870
[5-amino-1-(2-chlorophenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone
CID 82188857
azepan-1-yl-[5-(7-bicyclo[4.1.0]heptanyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 172500710
3-(1,3-dihydroisoindole-2-carbonyl)-1-propan-2-ylpyrazole-5-carboxylic acid
CID 117215506
azepan-1-yl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 18131924
6-(4-acetylpiperazine-1-carbonyl)-2-propan-2-ylpyridazin-3-one
CID 42161847
(4-amino-1-methylpyrazol-3-yl)-(azocan-1-yl)methanone
CID 65354711
1-propan-2-ylpyrazole-3,5-dicarboxylic acid
CID 117215590
[2-methyl-6-(propan-2-ylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109360380
(1-methylpyrazol-3-yl)-piperidin-1-ylmethanone
CID 19577577
piperidin-1-yl-(2-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 141385532

Frequently Asked Questions

What is the IUPAC name of (5-amino-1-propan-2-ylpyrazol-3-yl)-piperidin-1-ylmethanone?
The IUPAC name of (5-amino-1-propan-2-ylpyrazol-3-yl)-piperidin-1-ylmethanone (CID 117215429) is (5-amino-1-propan-2-ylpyrazol-3-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (5-amino-1-propan-2-ylpyrazol-3-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (5-amino-1-propan-2-ylpyrazol-3-yl)-piperidin-1-ylmethanone is CC(C)n1nc(C(=O)N2CCCCC2)cc1N.
What is the InChIKey of (5-amino-1-propan-2-ylpyrazol-3-yl)-piperidin-1-ylmethanone?
The InChIKey is UFKWMNONUMQAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(2)16-11(13)8-10(14-16)12(17)15-6-4-3-5-7-15/h8-9H,3-7,13H2,1-2H3.
What are the key properties of (5-amino-1-propan-2-ylpyrazol-3-yl)-piperidin-1-ylmethanone?
(5-amino-1-propan-2-ylpyrazol-3-yl)-piperidin-1-ylmethanone has a molecular weight of 236.32 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1-propan-2-ylpyrazol-3-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 117215429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).